SCHEMBL2383546

SCHEMBL2383546

CCOC(=O)c1cccc(NCc2ccc(CO)o2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 4/20 0.41
LMNA P02545 2/20 0.41
CDC25B P30305 3/20 0.41
CDC25A P30304 1/20 0.41
CDC25C P30307 1/20 0.41
KMT2A Q03164 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
TDP1 Q9NUW8 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2384948 0.90 NPC1 (0.45) ALDH1A1KDM4ECYP1A2CYP2C19RAB9A
SCHEMBL2382990 0.89 KMT2A (0.42) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL2383057 0.85 TDP1 (0.41) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL2383952 0.83 LMNA (0.43) ALDH1A1KDM4ECYP1A2CYP2C19RAB9A
SCHEMBL3800594 0.83 KDM4E (0.54) ALDH1A1KDM4ESMN1; SMN2MAPTHPGD
SCHEMBL2383542 0.82 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL2383243 0.81 RAB9A (0.55) ALDH1A1KDM4ERAB9ANPC1MAPT
SCHEMBL2383520 0.78 TSHR (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL2385151 0.77 NPC1 (0.53) ALDH1A1KDM4ECYP1A2RAB9ASMN1; SMN2
SCHEMBL2382953 0.75 LMNA (0.50) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012997-B2 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION (US) 2011-09-06 US disclosed
EP-2168958-A1 Isoindole-Imide Compounds, Compositions And Uses Thereof CELGENE CORPORATION (US) 2010-03-31 EP disclosed
US-20090286986-A1 ISOINDOLE-IMIDE COMPOUNDS, COMPOSITIONS, AND USES THEREOF CELGENE CORPORATION 2009-11-19 US disclosed
US-7576104-B2 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION (US) 2009-08-18 US disclosed
EP-1767533-A1 N-{(2-(2,6-dioxo(3-piperidyl)-1,3-dioxo-2,3-dihydro-1H-isoindolin-4-yl)methyl}cyclopropylcarboxamide as TNF inhibitor CELGENE CORPORATION (US) 2007-03-28 EP disclosed
US-7091353-B2 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION (US) 2006-08-15 US disclosed
US-20060025597-A1 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION 2006-02-02 US disclosed
EP-1363900-A1 ISOINDOLE-IMIDE COMPOUNDS AS TNF-INHIBITORS CELGENE CORPORATION (US) 2003-11-26 EP disclosed
US-20030096841-A1 Isoindole-imide compounds, compositions, and uses thereof CELGENE CORPORATION 2003-05-22 US disclosed
WO-2002059106-A1 ISOINDOLE-IMIDE COMPOUNDS, COMPOSITIONS, AND USES THEREOF CELGENE CORPORATION (US) 2002-08-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090286986-A1 ISOINDOLE-IMIDE COMPOUNDS, COMPOSITIONS, AND USES THEREOF TNF, IKZF3, TNFRSF1A ALDH1A1 2190/4885KDM4E 3103/4885CYP1A2 1901/4885
US-20060025597-A1 Isoindole-imide compounds, compositions, and uses thereof TNF, IKZF3, TNFRSF1A ALDH1A1 2190/4885KDM4E 3103/4885CYP1A2 1901/4885
US-20030096841-A1 Isoindole-imide compounds, compositions, and uses thereof TNF, IKZF3, IKZF1 ALDH1A1 2514/4885KDM4E 2801/4885CYP1A2 2097/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.